N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide

C16H15N5O — CID 122263530

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(-n3cccn3)c2)ncn1
InChIInChI=1S/C16H15N5O/c1-12-8-14(19-11-18-12)10-17-16(22)13-4-2-5-15(9-13)21-7-3-6-20-21/h2-9,11H,10H2,1H3,(H,17,22)
InChIKeyOYVAVDYJJFCEEQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.90
Rot. Bonds4

About N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide

N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 122263530) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID122263530
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(-n3cccn3)c2)ncn1
InChIInChI=1S/C16H15N5O/c1-12-8-14(19-11-18-12)10-17-16(22)13-4-2-5-15(9-13)21-7-3-6-20-21/h2-9,11H,10H2,1H3,(H,17,22)
InChIKeyOYVAVDYJJFCEEQ-UHFFFAOYSA-N
XLogP1.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
CID 163319479
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 56884755
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 122263530) is N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide is Cc1cc(CNC(=O)c2cccc(-n3cccn3)c2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is OYVAVDYJJFCEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-8-14(19-11-18-12)10-17-16(22)13-4-2-5-15(9-13)21-7-3-6-20-21/h2-9,11H,10H2,1H3,(H,17,22).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide?
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 122263530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).